cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate

C39H58CoN2O6 — CID 159447918

IUPACcobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(C)(C)c1cc(/C=N/C2CCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[Co+2]
InChIInChI=1S/C35H52N2O2.2C2H4O2.Co/c1-32(2,3)24-16-22(30(38)26(18-24)34(7,8)9)20-36-28-14-13-15-29(28)37-21-23-17-25(33(4,5)6)19-27(31(23)39)35(10,11)12;2*1-2(3)4;/h16-21,28-29,38-39H,13-15H2,1-12H3;2*1H3,(H,3,4);/q;;;+2/p-2/b36-20+,37-21+;;;
InChIKeyLSZMEIGELKXEEF-ZIHXVSTNSA-L
MW709.83 g/mol
LogP6.26
Rot. Bonds4

About cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate

cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate (PubChem CID 159447918) has the molecular formula C39H58CoN2O6 and a molecular weight of 709.83 g/mol. Its IUPAC name is cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate.

Molecular Properties

Compound Namecobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate
PubChem CID159447918
Molecular FormulaC39H58CoN2O6
Molecular Weight709.83 g/mol
Exact Mass709.36
IUPAC Namecobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(C)(C)c1cc(/C=N/C2CCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[Co+2]
InChIInChI=1S/C35H52N2O2.2C2H4O2.Co/c1-32(2,3)24-16-22(30(38)26(18-24)34(7,8)9)20-36-28-14-13-15-29(28)37-21-23-17-25(33(4,5)6)19-27(31(23)39)35(10,11)12;2*1-2(3)4;/h16-21,28-29,38-39H,13-15H2,1-12H3;2*1H3,(H,3,4);/q;;;+2/p-2/b36-20+,37-21+;;;
InChIKeyLSZMEIGELKXEEF-ZIHXVSTNSA-L
XLogP6.26
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.83
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cobalt(2+);2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;diacetate
CID 173167408
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639
chromium;2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;hydrochloride
CID 166597440
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 146161249
cobalt(3+);2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;triiodide
CID 173086543
chromium;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;chloride
CID 170923546
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;trichlorochromium
CID 136664418
4-tert-butyl-2-[[(1R,2R)-2-[[5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol;cobalt(3+);triacetate
CID 173159985
chromium;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;methane;azide
CID 137286067
2-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3,5-triol
CID 137125280
2,4-ditert-butyl-6-[[(1S,2R,4S,5R)-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-bicyclo[2.2.2]octanyl]iminomethyl]phenol
CID 136745931

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate?
The IUPAC name of cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate (CID 159447918) is cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate.
What is the SMILES notation for cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate?
The canonical SMILES for cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate is CC(=O)[O-].CC(=O)[O-].CC(C)(C)c1cc(/C=N/C2CCCC2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[Co+2].
What is the InChIKey of cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate?
The InChIKey is LSZMEIGELKXEEF-ZIHXVSTNSA-L. The full InChI is InChI=1S/C35H52N2O2.2C2H4O2.Co/c1-32(2,3)24-16-22(30(38)26(18-24)34(7,8)9)20-36-28-14-13-15-29(28)37-21-23-17-25(33(4,5)6)19-27(31(23)39)35(10,11)12;2*1-2(3)4;/h16-21,28-29,38-39H,13-15H2,1-12H3;2*1H3,(H,3,4);/q;;;+2/p-2/b36-20+,37-21+;;;.
What are the key properties of cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate?
cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate has a molecular weight of 709.83 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate is sourced from PubChem (CID 159447918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).